N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide

C22H27N3O3 — CID 118764730

IUPACN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)N2CCC(OCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-23-21(26)15-17-7-9-19(10-8-17)24-22(27)25-13-11-20(12-14-25)28-16-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyKYBVIVOTVGKLTB-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.19
Rot. Bonds6

About N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide

N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide (PubChem CID 118764730) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide
PubChem CID118764730
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)N2CCC(OCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-23-21(26)15-17-7-9-19(10-8-17)24-22(27)25-13-11-20(12-14-25)28-16-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyKYBVIVOTVGKLTB-UHFFFAOYSA-N
XLogP3.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 136524004
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 86902398
3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 111475189
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61422145
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 87003686
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide?
The IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide (CID 118764730) is N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide?
The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide is CNC(=O)Cc1ccc(NC(=O)N2CCC(OCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide?
The InChIKey is KYBVIVOTVGKLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-23-21(26)15-17-7-9-19(10-8-17)24-22(27)25-13-11-20(12-14-25)28-16-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide?
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide is sourced from PubChem (CID 118764730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).